SCHEMBL493033

SCHEMBL493033

CN(C)C(c1cccs1)C1CCC(NC(=O)COC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL492783 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL493115 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL492591 0.89 TDP1 (0.44) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL492692 0.89 PKM (0.43) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL493450 0.88 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL492712 0.85 DPP4 (0.44) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL493707 0.85 GAA (0.43) ALDH1A1KMT2ALMNAPKML3MBTL1
SCHEMBL492425 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL493153 0.84 EPHX2 (0.43) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL492701 0.84 EPHX2 (0.36) ALDH1A1MEN1KMT2ALMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ALDH1A1 1349/4885MEN1 4132/4885KMT2A 1749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.